N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H25N3O3S/c1-15-13-16(2)19-18(14-15)28-21(22-19)24(20(25)17-5-3-10-27-17)7-4-6-23-8-11-26-12-9-23/h3,5,10,13-14H,4,6-9,11-12H2,1-2H3/p+1